1-(4-butylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-butylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-butylphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(4-butylphenyl)sulfonyl-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-butylphenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-butylphenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(O3)C

InChI

InChI=1S/C20H28N2O3S/c1-3-4-5-18-7-10-20(11-8-18)26(23,24)22-14-12-21(13-15-22)16-19-9-6-17(2)25-19/h6-11H,3-5,12-16H2,1-2H3/p+1